Geometry & MOs

Info

ID:

111307

PubChem CID:

50362112

Reduced:

FO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

583.292532

ΔHf, kcal/mol:

-268.38

Dipole, Da:

10.48

IP(EA), eV:

 -8.69(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(2-methylpropylcarbamoyl)phenyl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C(C)C)F)C

DOS

IR

Vibrations